REFINEMENT OF THE TOWNES DAILEY THEORY - MNDO CALCULATION OF CL-35 NQR FREQUENCIES

Citation
Pa. Nikitin et al., REFINEMENT OF THE TOWNES DAILEY THEORY - MNDO CALCULATION OF CL-35 NQR FREQUENCIES, Mendeleev communications, (1), 1995, pp. 13-14
Citations number
7
Categorie Soggetti
Chemistry
Journal title
ISSN journal
09599436
Issue
1
Year of publication
1995
Pages
13 - 14
Database
ISI
SICI code
0959-9436(1995):1<13:ROTTDT>2.0.ZU;2-R
Abstract
Within the framework of the Townes-Dailey theory some corrections have been suggested which make it possible to take account of the effect o f differences in the p-electron energy on the electric field gradients and to improve the correlation between the experimental and theoretic al NQR frequencies.